General Information of the Compound
Compound ID
CP0409976
Compound Name
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
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Structure
Formula
C26H16N4O3
Molecular Weight
432.439
Canonical SMILES
O=C(Nc1nnc(o1)-c1ccco1)c1cc(nc2ccccc12)-c1cccc2ccccc12
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InChI
InChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-13-6-14-32-23)20-15-22(27-21-12-4-3-10-19(20)21)18-11-5-8-16-7-1-2-9-17(16)18/h1-15H,(H,28,30,31)
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InChIKey
WJWGIMDGOPMMMM-UHFFFAOYSA-N
Physicochemical Property
logP
5.9503
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
94.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 53318421
ChEMBL ID
CHEMBL1687978
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 55000 nM
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